SCHEMBL6493407

SCHEMBL6493407

O=C(C=Cc1cccc(S(=O)(=O)N2CCN(CC(c3ccccc3)c3ccccc3)CC2I)c1)NO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.52
HDAC2 Q92769 19/20 0.52
HDAC6 Q9UBN7 19/20 0.52
HDAC3 O15379 18/20 0.52
HDAC4 P56524 18/20 0.52
HDAC7 Q8WUI4 18/20 0.52
HDAC10 Q969S8 18/20 0.52
HDAC11 Q96DB2 18/20 0.52
HDAC8 Q9BY41 18/20 0.52
HDAC9 Q9UKV0 18/20 0.52
HDAC5 Q9UQL6 18/20 0.52
BRD4 O60885 1/20 0.46
ESR1 P03372 1/20 0.46
PTGS1 P23219 1/20 0.46
PDE4A P27815 1/20 0.46
PIK3CA P42336 1/20 0.46
HTR6 P50406 1/20 0.46
PDE4D Q08499 1/20 0.46
ASPH Q12797 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4522246 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1377816 0.84 HDAC1 (0.70) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1377818 0.84 HDAC1 (0.70) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL4508022 0.78 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1376427 0.73 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1376464 0.73 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1376403 0.73 HDAC1 (0.73) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1376467 0.73 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1376425 0.73 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1376399 0.73 HDAC1 (0.73) HDAC1HDAC2HDAC6HDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2005-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 HDAC1 1/4885HDAC2 6/4885HDAC6 10/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.